3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol

C14H24N6O — CID 80801921

IUPAC3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1nc(N2CCCC2)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H24N6O/c15-12-16-13(19-7-1-2-8-19)18-14(17-12)20-9-3-5-11(20)6-4-10-21/h11,21H,1-10H2,(H2,15,16,17,18)
InChIKeyZTBZDWRXSXDYEJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.80
Rot. Bonds5

About 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80801921) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80801921
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1nc(N2CCCC2)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H24N6O/c15-12-16-13(19-7-1-2-8-19)18-14(17-12)20-9-3-5-11(20)6-4-10-21/h11,21H,1-10H2,(H2,15,16,17,18)
InChIKeyZTBZDWRXSXDYEJ-UHFFFAOYSA-N
XLogP0.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol (CID 80801921) is 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol is Nc1nc(N2CCCC2)nc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZTBZDWRXSXDYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c15-12-16-13(19-7-1-2-8-19)18-14(17-12)20-9-3-5-11(20)6-4-10-21/h11,21H,1-10H2,(H2,15,16,17,18).
What are the key properties of 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 292.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80801921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).